N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-piperidin-1-yl-benzamide Openeye Name: N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-(1-piperidyl)benzamide CAS Name: N-[[1-ethyl-6-methyl-4-(4-oxanylamino)-5-pyrazolo[3,4-b]pyridinyl]methyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-[[1-ethyl-6-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[[1-ethyl-6-methyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methyl]-4-piperidino-benzamide Formula: C27H36N6O2 MolecularWeight: 476.61374

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)N5CCCCC5)C

Isomeric SMILES

CCN1C2=NC(=C(C(=C2C=N1)NC3CCOCC3)CNC(=O)C4=CC=C(C=C4)N5CCCCC5)C

InChI

InChI=1S/C27H36N6O2/c1-3-33-26-24(18-29-33)25(31-21-11-15-35-16-12-21)23(19(2)30-26)17-28-27(34)20-7-9-22(10-8-20)32-13-5-4-6-14-32/h7-10,18,21H,3-6,11-17H2,1-2H3,(H,28,34)(H,30,31)